3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C8H14N4O2 — CID 106396830

IUPAC3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCCNCCC(=O)NCc1ncon1
InChIInChI=1S/C8H14N4O2/c1-2-9-4-3-8(13)10-5-7-11-6-14-12-7/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyXIJORNFXVJNOFN-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.31
Rot. Bonds6

About 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106396830) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106396830
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCCNCCC(=O)NCc1ncon1
InChIInChI=1S/C8H14N4O2/c1-2-9-4-3-8(13)10-5-7-11-6-14-12-7/h6,9H,2-5H2,1H3,(H,10,13)
InChIKeyXIJORNFXVJNOFN-UHFFFAOYSA-N
XLogP-0.31
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106396830) is 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CCNCCC(=O)NCc1ncon1.
What is the InChIKey of 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is XIJORNFXVJNOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-9-4-3-8(13)10-5-7-11-6-14-12-7/h6,9H,2-5H2,1H3,(H,10,13).
What are the key properties of 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 198.23 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106396830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).